2-(4-chlorophenyl)-1-N,1-N-dimethylpentane-1,2-diamine

C13H21ClN2 — CID 43830852

IUPAC2-(4-chlorophenyl)-1-N,1-N-dimethylpentane-1,2-diamine
SMILESCCCC(N)(CN(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C13H21ClN2/c1-4-9-13(15,10-16(2)3)11-5-7-12(14)8-6-11/h5-8H,4,9-10,15H2,1-3H3
InChIKeyOPXQHGHYKMWYRQ-UHFFFAOYSA-N
MW240.78 g/mol
LogP2.86
Rot. Bonds5

About 2-(4-chlorophenyl)-1-N,1-N-dimethylpentane-1,2-diamine

2-(4-chlorophenyl)-1-N,1-N-dimethylpentane-1,2-diamine (PubChem CID 43830852) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-N,1-N-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-N,1-N-dimethylpentane-1,2-diamine
PubChem CID43830852
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Name2-(4-chlorophenyl)-1-N,1-N-dimethylpentane-1,2-diamine
SMILESCCCC(N)(CN(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C13H21ClN2/c1-4-9-13(15,10-16(2)3)11-5-7-12(14)8-6-11/h5-8H,4,9-10,15H2,1-3H3
InChIKeyOPXQHGHYKMWYRQ-UHFFFAOYSA-N
XLogP2.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-N,1-N-dimethylpentane-1,2-diamine?
The IUPAC name of 2-(4-chlorophenyl)-1-N,1-N-dimethylpentane-1,2-diamine (CID 43830852) is 2-(4-chlorophenyl)-1-N,1-N-dimethylpentane-1,2-diamine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-N,1-N-dimethylpentane-1,2-diamine?
The canonical SMILES for 2-(4-chlorophenyl)-1-N,1-N-dimethylpentane-1,2-diamine is CCCC(N)(CN(C)C)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-N,1-N-dimethylpentane-1,2-diamine?
The InChIKey is OPXQHGHYKMWYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-4-9-13(15,10-16(2)3)11-5-7-12(14)8-6-11/h5-8H,4,9-10,15H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-1-N,1-N-dimethylpentane-1,2-diamine?
2-(4-chlorophenyl)-1-N,1-N-dimethylpentane-1,2-diamine has a molecular weight of 240.78 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-N,1-N-dimethylpentane-1,2-diamine is sourced from PubChem (CID 43830852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).